Information card for entry 4304594

Structure parameters

• Formula: C25 H46 Cl N5 Ni O6
• Calculated formula: C25 H46 Cl N5 Ni O6
• SMILES: C1C[NH]2[C@H](C)CC(C)(C)[NH]3CC[NH]4[C@H](C)CC(C)(C)[NH]1[Ni]1234[NH2][C@@H](C(=O)O1)Cc1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains
• Authors of publication: Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2710 - 2718
• a: 12.6159 ± 0.0009 Å
• b: 12.6159 ± 0.0009 Å
• c: 18.211 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2898.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No